CFam Chemical Families Database
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You are searching for "CFAMM00480642" in compound.

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CFAM Mol ID CFAMM00480642
Family CFFBM26899 Prothrombin inhibitor N-[(2S)-3-(1,3-benzothiazol-2-yl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide family
Superfamily CFSBM6237 Prothrombin and Coagulation factor X Binder Superfamily 7
Class CFCID726 Class 2076
External ID CHEMBL28103 External Source CHEMBL
PubChem CID 12017727 Functional Category Bioactive
Molecule Name 1-[2-[1-[(2S)-3-(1,3-benzothiazol-2-yl)-2-[(3,3-dimethyl-2,4-dihydro-1H-quinolin-8-yl)sulfonylamino]propanoyl]piperidin-4-yl]ethyl]-3-butylurea
IUPAC Name 1-[2-[1-[(2S)-3-(1,3-benzothiazol-2-yl)-2-[(3,3-dimethyl-2,4-dihydro-1H-quinolin-8-yl)sulfonylamino]propanoyl]piperidin-4-yl]ethyl]-3-butylurea
Synonyms CHEBI:134862
InChi InChI=1S/C33H46N6O4S2/c1-4-5-16-34-32(41)35-17-13-23-14-18-39(19-15-23)31(40)26(20-29-37-25-10-6-7-11-27(25)44-29)38-45(42,43)28-12-8-9-24-21-33(2,3)22-36-30(24)28/h6-12,23,26,36,38H,4-5,13-22H2,1-3H3,(H2,34,35,41)/t26-/m0/s1
InChiKey JRSKVACFKLCUQH-SANMLTNESA-N
Formula C33H46N6O4S2 Molecular Weight 654.89
Cross Link CHEMBL28103
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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